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CHEBI:82060 - thiophanate

ChEBI IDCHEBI:82060
ChEBI Namethiophanate
Stars
DefinitionA member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.
Last Modified22 July 2015
DownloadsMolfile
FormulaC14H18N4O4S2
Net Charge0
Average Mass370.456
Monoisotopic Mass370.07695
SMILESCCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC
InChIInChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)
InChIKeyYFNCATAIYKQPOO-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
thiophanate (CHEBI:82060) has functional parent 1,2-phenylenediamine (CHEBI:34043)
thiophanate (CHEBI:82060) has role antifungal drug (CHEBI:86327)
thiophanate (CHEBI:82060) is a benzimidazole precursor fungicide (CHEBI:87037)
thiophanate (CHEBI:82060) is a carbamate ester (CHEBI:23003)
thiophanate (CHEBI:82060) is a carbamate fungicide (CHEBI:87061)
thiophanate (CHEBI:82060) is a thioureas (CHEBI:51276)
IUPAC Name 
diethyl (1,2-phenylenedicarbamothioyl)biscarbamate
Synonyms  Source
ThiophanatChemIDplus
1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzeneChemIDplus
1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzeneChemIDplus
1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzeneChemIDplus
Diethyl 4,4'-o-phenylenebis(3-thioallophanate)ChemIDplus
Ethyl thiophanateNIST Chemistry WebBook
Manual XrefsDatabases
C18918KEGG COMPOUND
thiophanateAlan Wood's Pesticides
2935PPDB
Registry NumbersSources
Reaxys:939969Reaxys
CAS:23564-06-9KEGG COMPOUND
CAS:23564-06-9ChemIDplus
CAS:23564-06-9NIST Chemistry WebBook